Dy3CuI3
Alexandria ALEXAlex-ID: agm005919082 · 空间群: I4_132 (#214)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C3_79_spg214
Dy DyCu DyI3
2023-08-07 19:13:12.043059
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005919082).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005919082
data_agm005919082
_cell_length_a 10.47402
_cell_length_b 10.47402
_cell_length_c 10.47402
_cell_angle_alpha 109.47121
_cell_angle_beta 109.47124
_cell_angle_gamma 109.47122
_cell_volume 884.54184
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Dy1 Dy 0.95686 0.47843 0.22843 1.00000
Dy2 Dy 0.52157 0.04314 0.27157 1.00000
Dy3 Dy 0.25000 0.02157 0.47843 1.00000
Dy4 Dy 0.97843 0.75000 0.02157 1.00000
Dy5 Dy 0.97843 0.22843 0.45686 1.00000
Dy6 Dy 0.77157 0.02157 0.04314 1.00000
Dy7 Dy 0.72843 0.45686 0.47843 1.00000
Dy8 Dy 0.77157 0.75000 0.22843 1.00000
Dy9 Dy 0.54314 0.27157 0.02157 1.00000
Dy10 Dy 0.25000 0.22843 0.27157 1.00000
Dy11 Dy 0.72843 0.27157 0.75000 1.00000
Dy12 Dy 0.52157 0.47843 0.75000 1.00000
Cu1 Cu 0.75000 0.50000 0.00000 1.00000
Cu2 Cu 0.50000 0.25000 0.50000 1.00000
Cu3 Cu 0.75000 0.25000 0.25000 1.00000
Cu4 Cu 0.00000 0.00000 0.25000 1.00000
I1 I 0.24135 0.99135 0.98271 1.00000
I2 I 0.75000 0.75865 0.74135 1.00000
I3 I 0.48271 0.74135 0.99135 1.00000
I4 I 0.00865 0.25000 0.99135 1.00000
I5 I 0.25865 0.74135 0.25000 1.00000
I6 I 0.49135 0.50865 0.25000 1.00000
I7 I 0.24135 0.25000 0.75865 1.00000
I8 I 0.25865 0.51729 0.50865 1.00000
I9 I 0.75000 0.99135 0.50865 1.00000
I10 I 0.01729 0.50865 0.75865 1.00000
I11 I 0.00865 0.75865 0.51729 1.00000
I12 I 0.49135 0.98271 0.74135 1.00000
